ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate

C20H25N3O3 — CID 109195914

IUPACethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCCCCCNc1ccc(C(=O)Nc2ccccc2C(=O)OCC)nc1
InChIInChI=1S/C20H25N3O3/c1-3-5-8-13-21-15-11-12-18(22-14-15)19(24)23-17-10-7-6-9-16(17)20(25)26-4-2/h6-7,9-12,14,21H,3-5,8,13H2,1-2H3,(H,23,24)
InChIKeyKEJFDNVBUHKSIX-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.11
Rot. Bonds9

About ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate

ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109195914) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
PubChem CID109195914
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Nameethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCCCCCNc1ccc(C(=O)Nc2ccccc2C(=O)OCC)nc1
InChIInChI=1S/C20H25N3O3/c1-3-5-8-13-21-15-11-12-18(22-14-15)19(24)23-17-10-7-6-9-16(17)20(25)26-4-2/h6-7,9-12,14,21H,3-5,8,13H2,1-2H3,(H,23,24)
InChIKeyKEJFDNVBUHKSIX-UHFFFAOYSA-N
XLogP4.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109184186
methyl 2-[[5-(butylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180957
ethyl 2-[[6-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109195810
ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
CID 109179823
ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109189577
ethyl 2-[[5-(cyclopropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180218
ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109198079
methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate
CID 109186207
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109180924
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
ethyl 2-[[5-(pentylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109107303

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate (CID 109195914) is ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate is CCCCCNc1ccc(C(=O)Nc2ccccc2C(=O)OCC)nc1.
What is the InChIKey of ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is KEJFDNVBUHKSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-5-8-13-21-15-11-12-18(22-14-15)19(24)23-17-10-7-6-9-16(17)20(25)26-4-2/h6-7,9-12,14,21H,3-5,8,13H2,1-2H3,(H,23,24).
What are the key properties of ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate?
ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 355.44 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109195914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).